SCHEMBL2553478

SCHEMBL2553478

O=Cc1ccc(-c2cccc(Cl)c2C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.40
DPP4 P27487 2/20 0.40
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PBRM1 Q86U86 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ANO1 Q5XXA6 1/20 0.35
MAPK1 P28482 1/20 0.35
MCL1 Q07820 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
PRF1 P14222 1/20 0.35
MEN1 O00255 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2557854 0.82 APP (0.40) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL2557708 0.82 HPGD (0.48) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL1727532 0.80 CYP2E1 (0.46) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL4035613 0.79 DPP4 (0.47) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL23908712 0.77 ALDH1A1 (0.58) DPP4HPGDALDH1A1PBRM1ANO1
SCHEMBL2560241 0.75 ANO1 (0.42) DPP4ALDH1A1PBRM1ANO1FABP3
SCHEMBL2558619 0.75 KDM4E (0.46) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL2561507 0.73 POLB (0.51) APPDPP4CYP2E1CYP3A4CYP2A6
SCHEMBL2562398 0.73 TSHR (0.46) DPP4ALDH1A1MEN1KMT2ATDP1
SCHEMBL2553214 0.73 PBRM1 (0.44) DPP4ALDH1A1PBRM1FABP3FABP4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed